smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1cc([N+](=O)[O-])cc(S(=O)(=O)O)c1O 100049610 VINQJSLQXMWMAD-YWMAMYRUSA-N 419.375 2.422 10 30 HECC COc1c(NC[C@H](O)CO)ccc(/N=N/c2ncc([N+](=O)[O-])s2)c1NC(C)=O 31362698 JISSCSLVNOPLGN-BUCDZPDJSA-N 410.412 2.199 10 30 HECC O=C(NC1(O)C(=O)c2ccccc2C1=O)c1cnn(-c2ccccc2)c1C(F)(F)F 1029907 KBBLGLMUYPLJRH-UHFFFAOYSA-N 415.327 2.389 10 30 HECC CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1cc([N+](=O)[O-])cc(S(=O)(=O)O)c1O 100049609 VINQJSLQXMWMAD-IAFNSTAXSA-N 419.375 2.422 10 30 HECC CC(=O)Nc1ccc([N+](=O)[O-])c2c1C(=O)c1c(NC(C)=O)ccc([N+](=O)[O-])c1C2=O 44710045 QZNQEOQENXBFPL-UHFFFAOYSA-N 412.314 2.195 10 30 HECC COc1c(NC[C@@H](O)CO)ccc(/N=N/c2ncc([N+](=O)[O-])s2)c1NC(C)=O 31362696 JISSCSLVNOPLGN-XXLZAIRNSA-N 410.412 2.199 10 30 HECC